ChemSpider 2D Image | 5-[(1R)-2-{[2-(4-{3-[(2-Aminoethyl)disulfanyl]propoxy}-3-methoxyphenyl)ethyl]amino}-1-hydroxyethyl]-2,8-quinolinediol | C25H33N3O5S2

5-[(1R)-2-{[2-(4-{3-[(2-Aminoethyl)disulfanyl]propoxy}-3-methoxyphenyl)ethyl]amino}-1-hydroxyethyl]-2,8-quinolinediol

  • Molecular FormulaC25H33N3O5S2
  • Average mass519.677 Da
  • Monoisotopic mass519.186157 Da
  • ChemSpider ID88297722

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1273593-86-4 [RN]
2,8-Quinolinediol, 5-[(1R)-2-[[2-[4-[3-[(2-aminoethyl)dithio]propoxy]-3-methoxyphenyl]ethyl]amino]-1-hydroxyethyl]- [ACD/Index Name]
5-[(1R)-2-[[2-[4-[3-[(2-Aminoethyl)dithio]propoxy]-3-methoxyphenyl]ethyl]amino]-1-hydroxyethyl]-8-hydroxy-2(1H)-quinolinone
5-[(1R)-2-{[2-(4-{3-[(2-Aminoethyl)disulfanyl]propoxy}-3-methoxyphenyl)ethyl]amino}-1-hydroxyethyl]-2,8-chinolindiol [German] [ACD/IUPAC Name]
5-[(1R)-2-{[2-(4-{3-[(2-Aminoéthyl)disulfanyl]propoxy}-3-méthoxyphényl)éthyl]amino}-1-hydroxyéthyl]-2,8-quinoléinediol [French] [ACD/IUPAC Name]
5-[(1R)-2-{[2-(4-{3-[(2-Aminoethyl)disulfanyl]propoxy}-3-methoxyphenyl)ethyl]amino}-1-hydroxyethyl]-2,8-quinolinediol [ACD/IUPAC Name]
FAUC50

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 775.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.6±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 145.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.26
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 181 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 392.9±3.0 cm3

Click to predict properties on the Chemicalize site


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